2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C18H21ClFN3O3S — CID 2699439

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H21ClFN3O3S/c1-23(11-15-16(19)3-2-4-17(15)20)12-18(24)22-10-9-13-5-7-14(8-6-13)27(21,25)26/h2-8H,9-12H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyGSAMRHNSNSOMRR-UHFFFAOYSA-N
MW413.90 g/mol
LogP1.92
Rot. Bonds8

About 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2699439) has the molecular formula C18H21ClFN3O3S and a molecular weight of 413.90 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2699439
Molecular FormulaC18H21ClFN3O3S
Molecular Weight413.90 g/mol
Exact Mass413.10
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H21ClFN3O3S/c1-23(11-15-16(19)3-2-4-17(15)20)12-18(24)22-10-9-13-5-7-14(8-6-13)27(21,25)26/h2-8H,9-12H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyGSAMRHNSNSOMRR-UHFFFAOYSA-N
XLogP1.92
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 2699439) is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is GSAMRHNSNSOMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O3S/c1-23(11-15-16(19)3-2-4-17(15)20)12-18(24)22-10-9-13-5-7-14(8-6-13)27(21,25)26/h2-8H,9-12H2,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 413.90 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2699439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).